Geometry & MOs

Info

ID:	291700
PubChem CID:	113460016
Reduced:	NOF3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	252.151415
ΔH_f, kcal/mol:	-219.34
Dipole, Da:	3.51
IP(EA), eV:	-9.16(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethylphenyl)-2-methyl-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(=C)COCCNC1CCC(CC1)C(F)(F)F

DOS

IR

Vibrations